3KJN

Caspase 8 bound to a covalent inhibitor

Summary for 3KJN

• Entry DOI: 10.2210/pdb3kjn/pdb
• Related: 3KJF 3KJQ
• Descriptor: Caspase-8, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, ... (5 entities in total)
• Functional Keywords: caspase 8, kinetics, peptidomimetic inhibitor, urazole, thiol protease, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm: Q14790 Q14790
• Total number of polymer chains: 2
• Total formula weight: 30289.37

Authors

Kamtekar, S.,Watt, W.,Finzel, B.C.,Harris, M.S.,Blinn, J.,Wang, Z.,Tomasselli, A.G. (deposition date: 2009-11-03, release date: 2010-08-11, Last modification date: 2011-07-13)

• Primary citation: Wang, Z.,Watt, W.,Brooks, N.A.,Harris, M.S.,Urban, J.,Boatman, D.,McMillan, M.,Kahn, M.,Heinrikson, R.L.,Finzel, B.C.,Wittwer, A.J.,Blinn, J.,Kamtekar, S.,Tomasselli, A.G.; Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.; Biochim.Biophys.Acta, 1804:1817-1831, 2010; PubMed: 20580860; DOI: 10.1016/j.bbapap.2010.05.007

Experimental method

X-RAY DIFFRACTION (1.8 Å)